3-tert-butyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole; ethanedioic acid

Systemtic Name: 3-tert-butyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole; ethanedioic acid Openeye Name: 3-tert-butyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole; oxalic acid CAS Name: 3-tert-butyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole; oxalic acid IUPAC Name: 3-tert-butyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole; oxalic acid Traditional Name: 3-tert-butyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole; oxalic acid Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19N3O.C2H2O4/c1-12(2,3)11-13-10(16-14-11)9-6-5-7-15(4)8-9;3-1(4)2(5)6/h6H,5,7-8H2,1-4H3;(H,3,4)(H,5,6)